3-acetyl-4-phenyl-1,3-oxazolidin-2-one;3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one;3-methyl-4-phenyl-1,3-oxazolidin-2-one;4-methyl-5-phenyl-1,3-oxazolidin-2-one;4-phenyl-1,3-oxazolidin-2-one

C51H55N5O11 — CID 23168258

About 3-acetyl-4-phenyl-1,3-oxazolidin-2-one;3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one;3-methyl-4-phenyl-1,3-oxazolidin-2-one;4-methyl-5-phenyl-1,3-oxazolidin-2-one;4-phenyl-1,3-oxazolidin-2-one

3-acetyl-4-phenyl-1,3-oxazolidin-2-one;3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one;3-methyl-4-phenyl-1,3-oxazolidin-2-one;4-methyl-5-phenyl-1,3-oxazolidin-2-one;4-phenyl-1,3-oxazolidin-2-one (PubChem CID 23168258) has the molecular formula C51H55N5O11 and a molecular weight of 914.03 g/mol. Its IUPAC name is 3-acetyl-4-phenyl-1,3-oxazolidin-2-one;3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one;3-methyl-4-phenyl-1,3-oxazolidin-2-one;4-methyl-5-phenyl-1,3-oxazolidin-2-one;4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 3-acetyl-4-phenyl-1,3-oxazolidin-2-one;3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one;3-methyl-4-phenyl-1,3-oxazolidin-2-one;4-methyl-5-phenyl-1,3-oxazolidin-2-one;4-phenyl-1,3-oxazolidin-2-one
• PubChem CID: 23168258
• Molecular Formula: C51H55N5O11
• Molecular Weight: 914.03 g/mol
• Exact Mass: 913.39
• IUPAC Name: 3-acetyl-4-phenyl-1,3-oxazolidin-2-one;3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one;3-methyl-4-phenyl-1,3-oxazolidin-2-one;4-methyl-5-phenyl-1,3-oxazolidin-2-one;4-phenyl-1,3-oxazolidin-2-one
• SMILES: CC(=O)N1C(=O)OCC1c1ccccc1.CC1C(c2ccccc2)OC(=O)N1C.CC1NC(=O)OC1c1ccccc1.CN1C(=O)OCC1c1ccccc1.O=C1NC(c2ccccc2)CO1
• InChI: InChI=1S/C11H11NO3.C11H13NO2.2C10H11NO2.C9H9NO2/c1-8(13)12-10(7-15-11(12)14)9-5-3-2-4-6-9;1-8-10(14-11(13)12(8)2)9-6-4-3-5-7-9;1-11-9(7-13-10(11)12)8-5-3-2-4-6-8;1-7-9(13-10(12)11-7)8-5-3-2-4-6-8;11-9-10-8(6-12-9)7-4-2-1-3-5-7/h2-6,10H,7H2,1H3;3-8,10H,1-2H3;2-6,9H,7H2,1H3;2-7,9H,1H3,(H,11,12);1-5,8H,6H2,(H,10,11)
• InChIKey: ZEDGHAUAHXFSAX-UHFFFAOYSA-N
• XLogP: 9.06
• TPSA: 182.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	914.03
LogP ≤ 5	9.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-phenyl-1,3-oxazolidin-2-one;3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one;3-methyl-4-phenyl-1,3-oxazolidin-2-one;4-methyl-5-phenyl-1,3-oxazolidin-2-one;4-phenyl-1,3-oxazolidin-2-one?

The IUPAC name of 3-acetyl-4-phenyl-1,3-oxazolidin-2-one;3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one;3-methyl-4-phenyl-1,3-oxazolidin-2-one;4-methyl-5-phenyl-1,3-oxazolidin-2-one;4-phenyl-1,3-oxazolidin-2-one (CID 23168258) is 3-acetyl-4-phenyl-1,3-oxazolidin-2-one;3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one;3-methyl-4-phenyl-1,3-oxazolidin-2-one;4-methyl-5-phenyl-1,3-oxazolidin-2-one;4-phenyl-1,3-oxazolidin-2-one.

What is the SMILES notation for 3-acetyl-4-phenyl-1,3-oxazolidin-2-one;3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one;3-methyl-4-phenyl-1,3-oxazolidin-2-one;4-methyl-5-phenyl-1,3-oxazolidin-2-one;4-phenyl-1,3-oxazolidin-2-one?

The canonical SMILES for 3-acetyl-4-phenyl-1,3-oxazolidin-2-one;3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one;3-methyl-4-phenyl-1,3-oxazolidin-2-one;4-methyl-5-phenyl-1,3-oxazolidin-2-one;4-phenyl-1,3-oxazolidin-2-one is CC(=O)N1C(=O)OCC1c1ccccc1.CC1C(c2ccccc2)OC(=O)N1C.CC1NC(=O)OC1c1ccccc1.CN1C(=O)OCC1c1ccccc1.O=C1NC(c2ccccc2)CO1.

What is the InChIKey of 3-acetyl-4-phenyl-1,3-oxazolidin-2-one;3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one;3-methyl-4-phenyl-1,3-oxazolidin-2-one;4-methyl-5-phenyl-1,3-oxazolidin-2-one;4-phenyl-1,3-oxazolidin-2-one?

The InChIKey is ZEDGHAUAHXFSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3.C11H13NO2.2C10H11NO2.C9H9NO2/c1-8(13)12-10(7-15-11(12)14)9-5-3-2-4-6-9;1-8-10(14-11(13)12(8)2)9-6-4-3-5-7-9;1-11-9(7-13-10(11)12)8-5-3-2-4-6-8;1-7-9(13-10(12)11-7)8-5-3-2-4-6-8;11-9-10-8(6-12-9)7-4-2-1-3-5-7/h2-6,10H,7H2,1H3;3-8,10H,1-2H3;2-6,9H,7H2,1H3;2-7,9H,1H3,(H,11,12);1-5,8H,6H2,(H,10,11).

What are the key properties of 3-acetyl-4-phenyl-1,3-oxazolidin-2-one;3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one;3-methyl-4-phenyl-1,3-oxazolidin-2-one;4-methyl-5-phenyl-1,3-oxazolidin-2-one;4-phenyl-1,3-oxazolidin-2-one?

3-acetyl-4-phenyl-1,3-oxazolidin-2-one;3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one;3-methyl-4-phenyl-1,3-oxazolidin-2-one;4-methyl-5-phenyl-1,3-oxazolidin-2-one;4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 914.03 g/mol, XLogP of 9.06, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-acetyl-4-phenyl-1,3-oxazolidin-2-one;3,4-dimethyl-5-phenyl-1,3-oxazolidin-2-one;3-methyl-4-phenyl-1,3-oxazolidin-2-one;4-methyl-5-phenyl-1,3-oxazolidin-2-one;4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 23168258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).